Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ACACB | O00763 | 4/20 | 0.41 |
| ▸ | ACACA | Q13085 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9061991 | 1.00 | RAB9A (0.42) | RAB9AALDH1A1MAPTACACBACACA | |
| SCHEMBL9061617 | 0.94 | RAB9A (0.48) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9061623 | 0.94 | RAB9A (0.48) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9060769 | 0.92 | RAB9A (0.46) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9060772 | 0.92 | RAB9A (0.46) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9061311 | 0.91 | RARB (0.46) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9061082 | 0.91 | RARB (0.46) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9060102 | 0.91 | RARB (0.46) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9060910 | 0.91 | RARB (0.46) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 | |
| SCHEMBL9061087 | 0.91 | RARB (0.46) | RAB9ACYP2D6CYP1A2CYP2C19HRH3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5389292-A | Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |